Ensemble of Transition State Structures for the Cis−Trans Isomerization of N-Methylacetamide
Author:
Affiliation:
1. Computational Science, Department of Chemistry and Applied Biosciences, ETH Zurich, USI Campus, Via Giuseppe Buffi 13, CH-6900 Lugano, Switzerland
Publisher
American Chemical Society (ACS)
Subject
Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp8106556
Reference55 articles.
1. Advances in vibrational spectroscopy as a sensitive probe of peptide and protein structure
2. Modeling Competitive Interactions in Proteins: Vibrational Spectroscopy of M+(n-methylacetamide)1(H2O)n=0-3, M = Na and K, in the 3 μm Region
3. Infrared spectroscopy in the gas and liquid phase from first principle molecular dynamics simulations: application to small peptides
4. Geometry and Solvent Dependence of the Electronic Spectra of the Amide Group and Consequences for Peptide Circular Dichroism
5. Study on hydration enthalpy of N-methylacetamide in water
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